6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H18F3N5O4 — CID 178051373

About 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 178051373) has the molecular formula C21H18F3N5O4 and a molecular weight of 461.40 g/mol. Its IUPAC name is 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 178051373
• Molecular Formula: C21H18F3N5O4
• Molecular Weight: 461.40 g/mol
• Exact Mass: 461.13
• IUPAC Name: 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C(F)(F)F)n2)cc1NC(=O)c1cnn2cc(COCCO)ccc12
• InChI: InChI=1S/C21H18F3N5O4/c1-12-2-4-14(18-27-20(33-28-18)21(22,23)24)8-16(12)26-19(31)15-9-25-29-10-13(3-5-17(15)29)11-32-7-6-30/h2-5,8-10,30H,6-7,11H2,1H3,(H,26,31)
• InChIKey: MOUIFDHWDRLABI-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 178051373) is 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C(F)(F)F)n2)cc1NC(=O)c1cnn2cc(COCCO)ccc12.

What is the InChIKey of 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is MOUIFDHWDRLABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O4/c1-12-2-4-14(18-27-20(33-28-18)21(22,23)24)8-16(12)26-19(31)15-9-25-29-10-13(3-5-17(15)29)11-32-7-6-30/h2-5,8-10,30H,6-7,11H2,1H3,(H,26,31).

What are the key properties of 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).